(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

C16H24N2O3 — CID 638704

IUPAC(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](CO)[C@H]3CC[C@H](O)CN3C2)n1
InChIInChI=1S/C16H24N2O3/c1-21-16-4-2-3-14(17-16)11-7-12(10-19)15-6-5-13(20)9-18(15)8-11/h2-4,11-13,15,19-20H,5-10H2,1H3/t11-,12-,13+,15-/m1/s1
InChIKeyWUPLEXBYYUOWQF-GUIRCDHDSA-N
MW292.38 g/mol
LogP1.01
Rot. Bonds3

About (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol

(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (PubChem CID 638704) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.

Molecular Properties

Compound Name(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
PubChem CID638704
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](CO)[C@H]3CC[C@H](O)CN3C2)n1
InChIInChI=1S/C16H24N2O3/c1-21-16-4-2-3-14(17-16)11-7-12(10-19)15-6-5-13(20)9-18(15)8-11/h2-4,11-13,15,19-20H,5-10H2,1H3/t11-,12-,13+,15-/m1/s1
InChIKeyWUPLEXBYYUOWQF-GUIRCDHDSA-N
XLogP1.01
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(2-methoxyquinolin-4-yl)methanol
CID 44522664
1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-2-ol
CID 6636365
2-[2-[(2-methyl-3-phenylphenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633424
2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633443
[(3S,5R)-5-(6-methoxypyridin-2-yl)-1-methylpiperidin-3-yl]methanol
CID 638637
Jussiaeiine B
CID 638702
(2R,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
CID 638703
3-(Cyclopropylmethoxy)-1-{1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}-1-azaspiro[3.5]nonane
CID 91911224
US10030012, Example 72
CID 78318317
US10030012, Example 32
CID 78318994
US10927128, Example 47
CID 135332791
(3S*,4S*)-4-(3-methoxyphenyl)-1-[(6-methylpyridin-2-yl)methyl]piperidin-3-ol
CID 50959710

Frequently Asked Questions

What is the IUPAC name of (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The IUPAC name of (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol (CID 638704) is (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol.
What is the SMILES notation for (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The canonical SMILES for (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is COc1cccc([C@@H]2C[C@H](CO)[C@H]3CC[C@H](O)CN3C2)n1.
What is the InChIKey of (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
The InChIKey is WUPLEXBYYUOWQF-GUIRCDHDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-16-4-2-3-14(17-16)11-7-12(10-19)15-6-5-13(20)9-18(15)8-11/h2-4,11-13,15,19-20H,5-10H2,1H3/t11-,12-,13+,15-/m1/s1.
What are the key properties of (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol?
(3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol has a molecular weight of 292.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol is sourced from PubChem (CID 638704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).